CID 16226760

870692-98-1

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H16N2O2/c1-11(2)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)18-17(19)21/h3-11H,1-2H3,(H,18,21)
InChIKey
ZUAKYEINYRAVOG-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.2
[M+Na]+ 303.11042 174.2
[M-H]- 279.11392 168.5
[M+NH4]+ 298.15502 177.9
[M+K]+ 319.08436 168.1
[M+H-H2O]+ 263.11846 155.1
[M+HCOO]- 325.11940 182.7
[M+CH3COO]- 339.13505 175.6
[M+Na-2H]- 301.09587 169.3
[M]+ 280.12065 164.5
[M]- 280.12175 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.